异胆酸
TL;DR: 异胆酸 (CAS 28765-60-8) is a chemical compound with molecular formula C24H40O5 and molecular weight 408.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异胆酸
(4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Also Known As: Allocholic acid, Allocholate, 5a-cholic acid, 5alpha-cholic acid, ursocholic acid
| Molecular Formula | C24H40O5 |
|---|---|
| Molecular Weight | 408.29 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.28757 |
| Heavy Atoms | 29 |
| Complexity | 637.0 |
Chemical Identifiers
| CAS Number | 28765-60-8 |
|---|---|
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C |
| InChIKey | BHQCQFFYRZLCQQ-PGHAKIONSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异胆酸 (CAS 28765-60-8), with molecular formula C24H40O5 and molecular weight 408.29 g/mol. IUPAC: (4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid.
Chemical Property Profile of 异胆酸
Property Insights of 异胆酸
The XLogP value of 3.6 indicates that 异胆酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 异胆酸. Following Lipinski's Rule of Five, 异胆酸 has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 异胆酸?
The CAS number of 异胆酸 is 28765-60-8.
What is the molecular formula of 异胆酸?
The molecular formula of 异胆酸 is C24H40O5.
What is the molecular weight of 异胆酸?
The molecular weight of 异胆酸 is 408.29 g/mol.
Where can I buy 异胆酸?
You can request a quote for 异胆酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异胆酸?
Yes, KEHONG BIO provides custom synthesis services for 异胆酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.